3-N-methoxybenzene-1,3-disulfonamide

C7H10N2O5S2 — CID 60713608

IUPAC3-N-methoxybenzene-1,3-disulfonamide
SMILESCONS(=O)(=O)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C7H10N2O5S2/c1-14-9-16(12,13)7-4-2-3-6(5-7)15(8,10)11/h2-5,9H,1H3,(H2,8,10,11)
InChIKeyMUCYLPDUFOVJAY-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.83
Rot. Bonds4

About 3-N-methoxybenzene-1,3-disulfonamide

3-N-methoxybenzene-1,3-disulfonamide (PubChem CID 60713608) has the molecular formula C7H10N2O5S2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-N-methoxybenzene-1,3-disulfonamide.

Molecular Properties

Compound Name3-N-methoxybenzene-1,3-disulfonamide
PubChem CID60713608
Molecular FormulaC7H10N2O5S2
Molecular Weight266.30 g/mol
Exact Mass266.00
IUPAC Name3-N-methoxybenzene-1,3-disulfonamide
SMILESCONS(=O)(=O)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C7H10N2O5S2/c1-14-9-16(12,13)7-4-2-3-6(5-7)15(8,10)11/h2-5,9H,1H3,(H2,8,10,11)
InChIKeyMUCYLPDUFOVJAY-UHFFFAOYSA-N
XLogP-0.83
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

benzene-1,3-disulfonamide
CID 3090044
3-N-(3-methoxyphenyl)benzene-1,3-disulfonamide
CID 31064512
3-methoxybenzenesulfonamide
CID 14763060
3-N-[2-(2-methoxyethylamino)ethyl]benzene-1,3-disulfonamide
CID 83036725
3-N-(2,2-difluoroethyl)benzene-1,3-disulfonamide
CID 79090939
3-methylsulfonylbenzenesulfonamide;hydrochloride
CID 172691071
3-methoxybenzenesulfonamide;hydrochloride
CID 141115301
methyl 2-methyl-6-[(3-sulfamoylphenyl)sulfonylamino]benzoate
CID 18283717
3-methylbenzenesulfonamide
CID 69347063
3-N-(5-methyl-1,3-oxazol-2-yl)benzene-1,3-disulfonamide
CID 126811400
3-N-(2-ethoxy-2-methylpropyl)benzene-1,3-disulfonamide
CID 114943745
3-N-(2-ethylphenyl)benzene-1,3-disulfonamide
CID 30286365

Frequently Asked Questions

What is the IUPAC name of 3-N-methoxybenzene-1,3-disulfonamide?
The IUPAC name of 3-N-methoxybenzene-1,3-disulfonamide (CID 60713608) is 3-N-methoxybenzene-1,3-disulfonamide.
What is the SMILES notation for 3-N-methoxybenzene-1,3-disulfonamide?
The canonical SMILES for 3-N-methoxybenzene-1,3-disulfonamide is CONS(=O)(=O)c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 3-N-methoxybenzene-1,3-disulfonamide?
The InChIKey is MUCYLPDUFOVJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O5S2/c1-14-9-16(12,13)7-4-2-3-6(5-7)15(8,10)11/h2-5,9H,1H3,(H2,8,10,11).
What are the key properties of 3-N-methoxybenzene-1,3-disulfonamide?
3-N-methoxybenzene-1,3-disulfonamide has a molecular weight of 266.30 g/mol, XLogP of -0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methoxybenzene-1,3-disulfonamide is sourced from PubChem (CID 60713608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).